(2S)-7,4'-Dihydroxy-3'-Prenylflavan
PubChem CID: 10990534
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| Compound Synonyms | (2S)-7,4'-dihydroxy-3'-prenylflavan, 376361-96-5, (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol, (2S)-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-3,4-dihydro-2H-chromen-7-ol, CHEMBL456062, SCHEMBL6819291, 2H-1-Benzopyran-7-ol, 3,4-dihydro-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-, (2S)-, 7,4AE-Dihydroxy-3AE-prenylflavan, HY-N2738, AKOS022184614, FS-9842, CS-0023238 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P11511 |
| Iupac Name | (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HORNIGLAKNPZGF-IBGZPJMESA-N |
| Fcsp3 | 0.3 |
| Logs | -3.843 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.969 |
| Compound Name | (2S)-7,4'-Dihydroxy-3'-Prenylflavan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.121423556521738 |
| Inchi | InChI=1S/C20H22O3/c1-13(2)3-4-15-11-16(6-9-18(15)22)19-10-7-14-5-8-17(21)12-20(14)23-19/h3,5-6,8-9,11-12,19,21-22H,4,7,10H2,1-2H3/t19-/m0/s1 |
| Smiles | CC(=CCC1=C(C=CC(=C1)[C@@H]2CCC3=C(O2)C=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cotinus Coggygria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all